CAS 1023-17-2 1-(4-Methoxyphenyl)-2-phenylethan-1-one (HCID 231093)

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Basic information

CAS: 1023-17-2
Standard SMILES: COc1ccc(C(=O)Cc2ccccc2)cc1
InChIKey: PLALKSRAHVYFOH-UHFFFAOYSA-N
Molecular formula: C15H14O2
Average molar mass: 226.27 g/mol
Monoisotopic mass: 226.09937969

Names & identifiers

Preferred name: 1-(4-Methoxyphenyl)-2-phenylethan-1-one
IUPAC: 1-(4-methoxyphenyl)-2-phenylethanone
English name: 4'-METHOXY-2-PHENYLACETOPHENONE
Molecular formula: C15H14O2
Molecular weight: 226.27

Names & synonyms

1-(4-methoxyphenyl)-2-phenylethan-1-oneDTXSID80907346RefChem:425759DTXCID0013364361023-17-21-(4-methoxyphenyl)-2-phenylethanone4'-Methoxy-2-phenylacetophenoneEthanone, 1-(4-methoxyphenyl)-2-phenyl-MFCD000171774-methoxydeoxybenzoin1-(4-Methoxyphenyl)acetophenonep-ANISYL BENZYL KETONE

Show more names

4-METHOXYPHENYLBENZYL KETONE4-Methoxy Phenyl AcetofenoneBENZYL 4-METHOXYPHENYL KETONE-METHOXY-2-PHENYLACETOPHENONEBenzyl p-Methoxyphenyl Ketone4-Methoxy-α-phenylacetophenone

1-(4-Methoxy-phenyl)-2-phenyl-ethanone1-(4-methoxyphenyl)-2-phenyl-ethanone2-Phenyl-p-methoxyacetophenoneNSC26658p-phenylacetylanisole2-phenyl-1-(4-methoxyphenyl)ethanone4-methoxydesoxybenzoindeoxy-4-methoxybenzoin

Database identifiers

CAS: 1023-17-2
PubChem CID: 231093
DTXSID: DTXSID80907346

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 235

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical diffusion

Physicochemical properties

Melting point: 77 · 77-78 °C
Boiling point: 380 · 380.0±17.0 °C(Predicted)
Density: 1.1 · 1.100±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: Dichloromethane, Ethyl Acetate
form: Solid
color: White Crystalline
InChI: InChI=1S/C15H14O2/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey: PLALKSRAHVYFOH-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(OC)C=C1)CC1=CC=CC=C1
CAS DataBase Reference: 1023 · 1023-17-2(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.